Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6O91

Horse liver L57F alcohol dehydrogenase complexed with NAD and pentafluorobenzyl alcohol

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
A	0004024	molecular_function	alcohol dehydrogenase (NAD+) activity, zinc-dependent
A	0004745	molecular_function	all-trans-retinol dehydrogenase (NAD+) activity
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006066	biological_process	alcohol metabolic process
A	0006069	biological_process	obsolete ethanol oxidation
A	0008270	molecular_function	zinc ion binding
A	0016491	molecular_function	oxidoreductase activity
A	0018455	molecular_function	alcohol dehydrogenase [NAD(P)+] activity
A	0042572	biological_process	retinol metabolic process
A	0042573	biological_process	retinoic acid metabolic process
A	0046872	molecular_function	metal ion binding
B	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
B	0004024	molecular_function	alcohol dehydrogenase (NAD+) activity, zinc-dependent
B	0004745	molecular_function	all-trans-retinol dehydrogenase (NAD+) activity
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006066	biological_process	alcohol metabolic process
B	0006069	biological_process	obsolete ethanol oxidation
B	0008270	molecular_function	zinc ion binding
B	0016491	molecular_function	oxidoreductase activity
B	0018455	molecular_function	alcohol dehydrogenase [NAD(P)+] activity
B	0042572	biological_process	retinol metabolic process
B	0042573	biological_process	retinoic acid metabolic process
B	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	binding site for residue ZN A 401

Chain	Residue
A	CYS46
A	HIS67
A	CYS174
A	NAJ403
A	PFB404

site_id	AC2
Number of Residues	4
Details	binding site for residue ZN A 402

Chain	Residue
A	CYS97
A	CYS100
A	CYS103
A	CYS111

site_id	AC3
Number of Residues	33
Details	binding site for residue NAJ A 403

Chain	Residue
A	ARG47
A	SER48
A	HIS51
A	CYS174
A	THR178
A	GLY199
A	GLY201
A	GLY202
A	VAL203
A	ASP223
A	ILE224
A	LYS228
A	VAL268
A	ILE269
A	VAL292
A	GLY293
A	VAL294
A	ALA317
A	ILE318
A	PHE319
A	ARG369
A	ZN401
A	PFB404
A	HOH538
A	HOH588
A	HOH626
A	HOH653
A	HOH689
A	HOH692
A	HOH693
A	HOH717
A	HOH849
A	HOH850

site_id	AC4
Number of Residues	14
Details	binding site for residue PFB A 404

Chain	Residue
A	CYS46
A	SER48
A	PHE57
A	HIS67
A	PHE93
A	LEU116
A	PHE140
A	LEU141
A	CYS174
A	VAL294
A	ILE318
A	ZN401
A	NAJ403
B	LEU309

site_id	AC5
Number of Residues	10
Details	binding site for residue MRD A 405

Chain	Residue
A	ASP297
A	GLN299
A	LYS338
A	LYS339
A	PHE340
A	ALA341
A	HOH551
A	HOH576
A	HOH765
A	HOH1092

site_id	AC6
Number of Residues	9
Details	binding site for residue MRD A 406

Chain	Residue
A	ARG218
A	THR238
A	GLU239
A	HOH501
A	HOH668
B	ARG218
B	THR238
B	GLU239
B	HOH512

site_id	AC7
Number of Residues	5
Details	binding site for residue MRD A 407

Chain	Residue
A	LYS168
A	ASP343
A	ILE346
A	THR347
A	HOH714

site_id	AC8
Number of Residues	5
Details	binding site for residue ZN B 401

Chain	Residue
B	CYS46
B	HIS67
B	CYS174
B	NAJ403
B	PFB404

site_id	AC9
Number of Residues	4
Details	binding site for residue ZN B 402

Chain	Residue
B	CYS97
B	CYS100
B	CYS103
B	CYS111

site_id	AD1
Number of Residues	32
Details	binding site for residue NAJ B 403

Chain	Residue
B	ILE224
B	LYS228
B	VAL268
B	ILE269
B	VAL292
B	GLY293
B	VAL294
B	ALA317
B	ILE318
B	PHE319
B	ARG369
B	ZN401
B	PFB404
B	HOH553
B	HOH632
B	HOH649
B	HOH652
B	HOH707
B	HOH711
B	HOH746
B	HOH782
B	HOH816
B	ARG47
B	SER48
B	HIS51
B	CYS174
B	THR178
B	GLY199
B	GLY201
B	GLY202
B	VAL203
B	ASP223

site_id	AD2
Number of Residues	14
Details	binding site for residue PFB B 404

Chain	Residue
A	LEU309
B	CYS46
B	SER48
B	PHE57
B	HIS67
B	PHE93
B	LEU116
B	PHE140
B	LEU141
B	CYS174
B	VAL294
B	ILE318
B	ZN401
B	NAJ403

site_id	AD3
Number of Residues	2
Details	binding site for residue MRD B 405

Chain	Residue
B	LYS338
B	LYS339

site_id	AD4
Number of Residues	5
Details	binding site for residue MRD B 406

Chain	Residue
B	LYS168
B	ASP343
B	ILE346
B	THR347
B	HOH733

Functional Information from PROSITE/UniProt

site_id	PS00059
Number of Residues	15
Details	ADH_ZINC Zinc-containing alcohol dehydrogenases signature. GHEaAGIvesiGegV

Chain	Residue	Details
A	GLY66-VAL80

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269\|PubMed:15299346, ECO:0000269\|PubMed:178875, ECO:0007744\|PDB:1A71, ECO:0007744\|PDB:1A72, ECO:0007744\|PDB:1ADB, ECO:0007744\|PDB:1ADC, ECO:0007744\|PDB:1ADF, ECO:0007744\|PDB:1ADG, ECO:0007744\|PDB:1AXE, ECO:0007744\|PDB:1AXG, ECO:0007744\|PDB:1BTO, ECO:0007744\|PDB:1HET, ECO:0007744\|PDB:1HLD, ECO:0007744\|PDB:1JU9, ECO:0007744\|PDB:1LDE, ECO:0007744\|PDB:1LDY, ECO:0007744\|PDB:1MG0, ECO:0007744\|PDB:1MGO, ECO:0007744\|PDB:1N8K, ECO:0007744\|PDB:1N92, ECO:0007744\|PDB:1P1R, ECO:0007744\|PDB:1QLH, ECO:0007744\|PDB:1QLJ, ECO:0007744\|PDB:1QV6, ECO:0007744\|PDB:1QV7, ECO:0007744\|PDB:1YE3, ECO:0007744\|PDB:2JHG, ECO:0007744\|PDB:2OHX, ECO:0007744\|PDB:3BTO, ECO:0007744\|PDB:3OQ6, ECO:0007744\|PDB:4DWV, ECO:0007744\|PDB:4DXH, ECO:0007744\|PDB:4NFH, ECO:0007744\|PDB:4NFS, ECO:0007744\|PDB:4NG5, ECO:0007744\|PDB:4XD2, ECO:0007744\|PDB:5ADH, ECO:0007744\|PDB:6ADH, ECO:0007744\|PDB:7ADH, ECO:0007744\|PDB:8ADH

Chain	Residue	Details
B	CYS46
B	HIS67
A	CYS46
A	HIS67

site_id	SWS_FT_FI2
Number of Residues	6
Details	BINDING: BINDING => ECO:0000250\|UniProtKB:P06525

Chain	Residue	Details
A	PHE319
B	SER48
B	VAL292
B	PHE319
A	SER48
A	VAL292

site_id	SWS_FT_FI3
Number of Residues	8
Details	BINDING: BINDING => ECO:0000269\|PubMed:15299346, ECO:0000269\|PubMed:178875, ECO:0007744\|PDB:1A71, ECO:0007744\|PDB:1A72, ECO:0007744\|PDB:1ADB, ECO:0007744\|PDB:1ADC, ECO:0007744\|PDB:1ADF, ECO:0007744\|PDB:1ADG, ECO:0007744\|PDB:1AXE, ECO:0007744\|PDB:1AXG, ECO:0007744\|PDB:1BTO, ECO:0007744\|PDB:1HET, ECO:0007744\|PDB:1HLD, ECO:0007744\|PDB:1JU9, ECO:0007744\|PDB:1LDE, ECO:0007744\|PDB:1LDY, ECO:0007744\|PDB:1MG0, ECO:0007744\|PDB:1MGO, ECO:0007744\|PDB:1N8K, ECO:0007744\|PDB:1N92, ECO:0007744\|PDB:1P1R, ECO:0007744\|PDB:1QLH, ECO:0007744\|PDB:1QLJ, ECO:0007744\|PDB:1QV6, ECO:0007744\|PDB:1QV7, ECO:0007744\|PDB:1YE3, ECO:0007744\|PDB:2JHG, ECO:0007744\|PDB:2OHX, ECO:0007744\|PDB:2OXI, ECO:0007744\|PDB:3BTO, ECO:0007744\|PDB:3OQ6, ECO:0007744\|PDB:4DWV, ECO:0007744\|PDB:4DXH, ECO:0007744\|PDB:4NFH, ECO:0007744\|PDB:4NFS, ECO:0007744\|PDB:4NG5, ECO:0007744\|PDB:4XD2, ECO:0007744\|PDB:5ADH, ECO:0007744\|PDB:6ADH, ECO:0007744\|PDB:7ADH, ECO:0007744\|PDB:8ADH

Chain	Residue	Details
B	CYS97
B	CYS100
B	CYS103
B	CYS111
A	CYS97
A	CYS100
A	CYS103
A	CYS111

site_id	SWS_FT_FI4
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269\|PubMed:15299346, ECO:0007744\|PDB:1A71, ECO:0007744\|PDB:1A72, ECO:0007744\|PDB:1ADB, ECO:0007744\|PDB:1ADC, ECO:0007744\|PDB:1ADF, ECO:0007744\|PDB:1ADG, ECO:0007744\|PDB:1AXE, ECO:0007744\|PDB:1AXG, ECO:0007744\|PDB:1BTO, ECO:0007744\|PDB:1HET, ECO:0007744\|PDB:1HLD, ECO:0007744\|PDB:1JU9, ECO:0007744\|PDB:1LDE, ECO:0007744\|PDB:1LDY, ECO:0007744\|PDB:1MG0, ECO:0007744\|PDB:1MGO, ECO:0007744\|PDB:1N8K, ECO:0007744\|PDB:1N92, ECO:0007744\|PDB:1P1R, ECO:0007744\|PDB:1QLH, ECO:0007744\|PDB:1QLJ, ECO:0007744\|PDB:1QV6, ECO:0007744\|PDB:1QV7, ECO:0007744\|PDB:1YE3, ECO:0007744\|PDB:2JHG, ECO:0007744\|PDB:2OHX, ECO:0007744\|PDB:3BTO, ECO:0007744\|PDB:3OQ6, ECO:0007744\|PDB:4DWV, ECO:0007744\|PDB:4DXH, ECO:0007744\|PDB:4NFH, ECO:0007744\|PDB:4NFS, ECO:0007744\|PDB:4NG5, ECO:0007744\|PDB:4XD2, ECO:0007744\|PDB:5ADH, ECO:0007744\|PDB:6ADH, ECO:0007744\|PDB:7ADH, ECO:0007744\|PDB:8ADH

Chain	Residue	Details
A	CYS174
B	CYS174

site_id	SWS_FT_FI5
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269\|PubMed:15299346, ECO:0007744\|PDB:1ADB, ECO:0007744\|PDB:1AXE, ECO:0007744\|PDB:1BTO, ECO:0007744\|PDB:1HET, ECO:0007744\|PDB:1HEU, ECO:0007744\|PDB:1HF3, ECO:0007744\|PDB:1HLD, ECO:0007744\|PDB:1JU9, ECO:0007744\|PDB:1LDE, ECO:0007744\|PDB:1LDY, ECO:0007744\|PDB:1MG0, ECO:0007744\|PDB:1MGO, ECO:0007744\|PDB:1N8K, ECO:0007744\|PDB:1N92, ECO:0007744\|PDB:1P1R, ECO:0007744\|PDB:1QV6, ECO:0007744\|PDB:1QV7, ECO:0007744\|PDB:2JHF, ECO:0007744\|PDB:2JHG, ECO:0007744\|PDB:2OHX, ECO:0007744\|PDB:2OXI, ECO:0007744\|PDB:3BTO, ECO:0007744\|PDB:3OQ6, ECO:0007744\|PDB:4DWV, ECO:0007744\|PDB:4DXH, ECO:0007744\|PDB:4NFH, ECO:0007744\|PDB:4XD2, ECO:0007744\|PDB:6ADH

Chain	Residue	Details
A	GLY199
B	GLY199

site_id	SWS_FT_FI6
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269\|PubMed:15299346, ECO:0007744\|PDB:1A71, ECO:0007744\|PDB:1ADB, ECO:0007744\|PDB:1AXE, ECO:0007744\|PDB:1AXG, ECO:0007744\|PDB:1BTO, ECO:0007744\|PDB:1HET, ECO:0007744\|PDB:1HEU, ECO:0007744\|PDB:1HF3, ECO:0007744\|PDB:1HLD, ECO:0007744\|PDB:1JU9, ECO:0007744\|PDB:1LDE, ECO:0007744\|PDB:1LDY, ECO:0007744\|PDB:1MG0, ECO:0007744\|PDB:1MGO, ECO:0007744\|PDB:1N8K, ECO:0007744\|PDB:1N92, ECO:0007744\|PDB:1P1R, ECO:0007744\|PDB:1QLH, ECO:0007744\|PDB:1QV6, ECO:0007744\|PDB:1QV7, ECO:0007744\|PDB:2JHF, ECO:0007744\|PDB:2JHG, ECO:0007744\|PDB:2OHX, ECO:0007744\|PDB:2OXI, ECO:0007744\|PDB:3BTO, ECO:0007744\|PDB:3OQ6, ECO:0007744\|PDB:4DWV, ECO:0007744\|PDB:4DXH, ECO:0007744\|PDB:4NFH, ECO:0007744\|PDB:4NFS, ECO:0007744\|PDB:4NG5, ECO:0007744\|PDB:4XD2, ECO:0007744\|PDB:5ADH, ECO:0007744\|PDB:6ADH

Chain	Residue	Details
A	ASP223
B	ASP223

site_id	SWS_FT_FI7
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269\|PubMed:15299346, ECO:0007744\|PDB:1A71, ECO:0007744\|PDB:1ADB, ECO:0007744\|PDB:1AXE, ECO:0007744\|PDB:1AXG, ECO:0007744\|PDB:1BTO, ECO:0007744\|PDB:1HET, ECO:0007744\|PDB:1HEU, ECO:0007744\|PDB:1HF3, ECO:0007744\|PDB:1HLD, ECO:0007744\|PDB:1JU9, ECO:0007744\|PDB:1LDE, ECO:0007744\|PDB:1MGO, ECO:0007744\|PDB:1N8K, ECO:0007744\|PDB:1N92, ECO:0007744\|PDB:1QLH, ECO:0007744\|PDB:2JHF, ECO:0007744\|PDB:2JHG, ECO:0007744\|PDB:2OHX, ECO:0007744\|PDB:2OXI, ECO:0007744\|PDB:3OQ6, ECO:0007744\|PDB:4DWV, ECO:0007744\|PDB:4DXH, ECO:0007744\|PDB:4NFH, ECO:0007744\|PDB:4NFS, ECO:0007744\|PDB:4NG5, ECO:0007744\|PDB:4XD2, ECO:0007744\|PDB:5ADH, ECO:0007744\|PDB:6ADH

Chain	Residue	Details
A	LYS228
B	LYS228

site_id	SWS_FT_FI8
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269\|PubMed:15299346, ECO:0007744\|PDB:1A71, ECO:0007744\|PDB:1ADB, ECO:0007744\|PDB:1AXE, ECO:0007744\|PDB:1AXG, ECO:0007744\|PDB:1BTO, ECO:0007744\|PDB:1HET, ECO:0007744\|PDB:1HEU, ECO:0007744\|PDB:1HF3, ECO:0007744\|PDB:1HLD, ECO:0007744\|PDB:1LDE, ECO:0007744\|PDB:1LDY, ECO:0007744\|PDB:1MG0, ECO:0007744\|PDB:1MGO, ECO:0007744\|PDB:1N8K, ECO:0007744\|PDB:1N92, ECO:0007744\|PDB:1P1R, ECO:0007744\|PDB:1QV6, ECO:0007744\|PDB:1QV7, ECO:0007744\|PDB:2JHF, ECO:0007744\|PDB:2JHG, ECO:0007744\|PDB:2OHX, ECO:0007744\|PDB:2OXI, ECO:0007744\|PDB:3BTO, ECO:0007744\|PDB:3OQ6, ECO:0007744\|PDB:4DWV, ECO:0007744\|PDB:4DXH, ECO:0007744\|PDB:4NFH, ECO:0007744\|PDB:4NFS, ECO:0007744\|PDB:4NG5, ECO:0007744\|PDB:4XD2, ECO:0007744\|PDB:6ADH

Chain	Residue	Details
A	ARG369
B	ARG369

site_id	SWS_FT_FI9
Number of Residues	2
Details	MOD_RES: N-acetylserine => ECO:0000269\|PubMed:5466062

Chain	Residue	Details
A	SER1
B	SER1

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	5
Details	M-CSA 256

Chain	Residue	Details
A	CYS46	metal ligand
A	SER48	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
A	HIS51	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
A	HIS67	metal ligand
A	CYS174	metal ligand

site_id	MCSA2
Number of Residues	5
Details	M-CSA 256

Chain	Residue	Details
B	CYS46	metal ligand
B	SER48	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
B	HIS51	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
B	HIS67	metal ligand
B	CYS174	metal ligand

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)